ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate

C18H21N3O5S — CID 9257612

IUPACethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C18H21N3O5S/c1-4-26-18(23)20-14-7-5-6-13(9-14)17(22)21-16-10-15(27(19,24)25)8-11(2)12(16)3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyOHJLDZTUHFOTAN-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.77
Rot. Bonds5

About ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 9257612) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
PubChem CID9257612
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Nameethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1
InChIInChI=1S/C18H21N3O5S/c1-4-26-18(23)20-14-7-5-6-13(9-14)17(22)21-16-10-15(27(19,24)25)8-11(2)12(16)3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22)(H2,19,24,25)
InChIKeyOHJLDZTUHFOTAN-UHFFFAOYSA-N
XLogP2.77
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
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4-butoxy-N-(2,3-dimethyl-5-sulfamoylphenyl)-3-ethoxybenzamide
CID 9141581
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-propan-2-ylbenzamide
CID 9141346
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate (CID 9257612) is ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)c1.
What is the InChIKey of ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is OHJLDZTUHFOTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-4-26-18(23)20-14-7-5-6-13(9-14)17(22)21-16-10-15(27(19,24)25)8-11(2)12(16)3/h5-10H,4H2,1-3H3,(H,20,23)(H,21,22)(H2,19,24,25).
What are the key properties of ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 391.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 9257612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).